Cas no 29458-43-3 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-1-methyl-)
29458-43-3 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-1-methyl-
CAS No:29458-43-3
MF:C5H7N3O3
MW:157.127380609512
CID:274449
PubChem ID:271675
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-1-methyl-
- 5-amino-1-methyl-1,3-diazinane-2,4,6-trione
- 1-Methyl-uramil
- 5-amino-1-methyl-barbituric acid
- 5-Amino-1-methyl-barbitursaeure
- 5-amino-1-methyl-pyrimidine-2,4,6-trione
- NSC-115594
- 29458-43-3
- NSC115594
- DTXSID70297329
- 5-amino-1-methylpyrimidine-2,4,6(1h,3h,5h)-trione
-
- Inchi： 1S/C5H7N3O3/c1-8-4(10)2(6)3(9)7-5(8)11/h2H,6H2,1H3,(H,7,9,11)
- InChI Key： BWSLPDFWDSLDQQ-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N1C)=O)=O)N
Computed Properties
- Exact Mass: 157.04900
- Monoisotopic Mass: 157.048741
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.6
- Topological Polar Surface Area: 92.5
Experimental Properties
- Density: 1.42
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.527
- PSA: 92.50000
- LogP: -1.01110
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-1-methyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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